Benzyl glucopyranoside
PubChem CID: 11076492
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| Compound Synonyms | Benzyl D-Glucopyranoside, Benzyl glucopyranoside, 34246-23-6, (2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol, Phenylmethyl D-Glucopyranoside, , Benzyl D-Glucopyranoside (An a-b mixture), 1-O-Benzyl-D-Glucopyranose, (3R,4S,5S,6R)-2-(benzyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol, SCHEMBL4866754, GKHCBYYBLTXYEV-HENWMNBSSA-N, DB-229964 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | GKHCBYYBLTXYEV-HENWMNBSSA-N |
| Fcsp3 | 0.5384615384615384 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | Benzyl glucopyranoside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 270.28 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4S,5R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.0444264105263157 |
| Inchi | InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13?/m1/s1 |
| Smiles | C1=CC=C(C=C1)COC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Xlogp | -0.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C13H18O6 |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Xanthioides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Rhodiola Rosea (Plant) Rel Props:Source_db:cmaup_ingredients